Calculation of the mobility-lifetime product of charge carriers in cubic CsPbX3 (X = Cl, Br, I) perovskites under pressure

Abstract

In recent years, there has been a growing interest in using inorganic halide perovskites for designing gamma-ray and X-ray detectors. To select the appropriate perovskite for detector design, it is important to consider the mobility-lifetimes (μτ) product of the charge carriers. A high value of the μτ product increases charge collection and simplifies detector construction. It is worth noting that the application of hydrostatic pressure can cause changes in the crystal structure, which affect the physical properties and value of the μτ product. This paper focuses on investigating the μτ product of charge carriers in the cubic phase of CsPbX3 (X = Cl, Br, I) perovskites under different hydrostatic pressures. Calculations are performed using a method based on the deformation potential theory. The results show that with increasing pressure, CsPbI3 perovskite shows a huge increase in the μτ product. Specifically, under pressure up to 6 GPa, the μτ product for electrons and holes increases by a factor of 233.8 and 1764.7, respectively, with respect to zero pressure. Additionally, calculations of their optical properties have revealed that these materials can be used in UV light detectors and photovoltaic devices.